1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-(coumaran-5-ylmethyl)-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)O

InChI

InChI=1S/C25H28N2O4/c1-29-21-4-2-3-19(14-21)23-15-22(31-26-23)16-25(28)8-10-27(11-9-25)17-18-5-6-24-20(13-18)7-12-30-24/h2-6,13-15,28H,7-12,16-17H2,1H3/p+1